Geometry & MOs

Info

ID:	188286
PubChem CID:	77693440
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	489.251523
ΔH_f, kcal/mol:	-26.56
Dipole, Da:	6.69
IP(EA), eV:	-8.71(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[[(2-butoxybenzoyl)-methylamino]methyl]phenyl]phenyl]-2-ethoxypropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2NC(CS2)C(=O)N3CCCC3C#N

DOS

IR

Vibrations